
 CHEMBL1095819

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.6520   -2.0266   -1.6595 C   0  0  0  0  0
    1.2676   -0.7931   -0.9827 N   0  0  0  0  0
    2.0009   -0.5806    0.2705 C   0  0  0  0  0
    3.4569   -0.1528    0.0746 C   0  0  0  0  0
    3.5543    1.0895   -0.8064 C   0  0  0  0  0
    2.8024    0.8827   -2.1296 C   0  0  0  0  0
    1.3633    0.3882   -1.8606 C   0  0  0  0  0
    2.7713    2.1617   -2.9232 C   0  0  0  0  0
    2.2931    3.3014   -2.4622 N   0  0  0  0  0
    2.4545    4.2179   -3.4626 C   0  0  0  0  0
    2.1281    5.5823   -3.4724 C   0  0  0  0  0
    2.4048    6.3333   -4.6191 C   0  0  0  0  0
    2.9900    5.7347   -5.7350 C   0  0  0  0  0
    3.3179    4.3724   -5.7435 C   0  0  0  0  0
    3.0371    3.6358   -4.5832 C   0  0  0  0  0
    3.2228    2.3148   -4.2221 N   0  0  0  0  0
    3.8794    1.3051   -5.0439 C   0  0  0  0  0
    2.9647    0.1678   -5.4378 C   0  0  0  0  0
    1.7522    0.4034   -6.1066 C   0  0  0  0  0
    0.9183   -0.6619   -6.4531 C   0  0  0  0  0
    1.2963   -1.9619   -6.1407 C   0  0  0  0  0
    2.5003   -2.2205   -5.4997 C   0  0  0  0  0
    3.3385   -1.1591   -5.1577 C   0  0  0  0  0
    0.4908   -2.9815   -6.4653 F   0  0  0  0  0
    1.0162   -2.1943   -2.5357 H   0  0  0  0  0
    1.4992   -2.8875   -0.9990 H   0  0  0  0  0
    2.6954   -2.0329   -1.9884 H   0  0  0  0  0
    1.9599   -1.4833    0.8920 H   0  0  0  0  0
    1.4791    0.1948    0.8467 H   0  0  0  0  0
    3.9111    0.0561    1.0499 H   0  0  0  0  0
    4.0355   -0.9697   -0.3729 H   0  0  0  0  0
    3.1413    1.9470   -0.2589 H   0  0  0  0  0
    4.6083    1.3227   -1.0025 H   0  0  0  0  0
    3.3425    0.1100   -2.6817 H   0  0  0  0  0
    0.7803    1.1940   -1.3930 H   0  0  0  0  0
    0.8509    0.1857   -2.8107 H   0  0  0  0  0
    1.6755    6.0354   -2.5975 H   0  0  0  0  0
    2.1610    7.3928   -4.6353 H   0  0  0  0  0
    3.1991    6.3399   -6.6150 H   0  0  0  0  0
    3.7724    3.9227   -6.6191 H   0  0  0  0  0
    4.7411    0.9500   -4.4666 H   0  0  0  0  0
    4.2741    1.7762   -5.9496 H   0  0  0  0  0
    1.4412    1.4173   -6.3531 H   0  0  0  0  0
   -0.0256   -0.4857   -6.9599 H   0  0  0  0  0
    2.7753   -3.2443   -5.2672 H   0  0  0  0  0
    4.2790   -1.3756   -4.6542 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1095819

>  <PubChem CID>
46888857

>  <Formula>
C20H22FN3

>  <Molecular Weight>
323.415000

>  <IUPAC Name>
1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCCC(C1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

>  <Isomeric SMILES>
CN1CCC[C@H](C1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1

>  <InChI Key>
AXIFLPLKZRNVDP-MRXNPFEDSA-N

